Information card for entry 4313375

Structure parameters

• Formula: C28 H48 B2 Hg N8 S4
• Calculated formula: C28 H48 B2 Hg N8 S4
• SMILES: [Hg]12([S]=c5n(ccn5[BH2]n5c(=[S]1)n(cc5)C(C)(C)C)C(C)(C)C)[S]=c1n(ccn1[BH2]n1c(=[S]2)n(cc1)C(C)(C)C)C(C)(C)C
• Title of publication: Homoleptic Group 12 Metal Bis(mercaptoimidazolyl)borate Complexes M(BmR)2(M = Zn, Cd, Hg)
• Authors of publication: Hamsell M. Alvarez; Thuy B. Tran; Mary A. Richter; Dania M. Alyounes; Daniel Rabinovich; Joseph M. Tanski; Mariusz Krawiec
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 2149 - 2156
• a: 10.0007 ± 0.001 Å
• b: 10.6538 ± 0.0011 Å
• c: 18.951 ± 0.0018 Å
• α: 81.699 ± 0.002°
• β: 76.592 ± 0.002°
• γ: 71.855 ± 0.002°
• Cell volume: 1860.7 ± 0.3 ų
• Cell temperature: 243 ± 2 K
• Ambient diffraction temperature: 243 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.028
• Residual factor for significantly intense reflections: 0.0233
• Weighted residual factors for significantly intense reflections: 0.0572
• Weighted residual factors for all reflections included in the refinement: 0.0585
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No